General Information of the Compound
| Compound ID |
CP0349470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,3R,4R)-3-[[2-[(1-benzylpyrazol-4-yl)amino]-5-chloropyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN7O
|
||||||||||||||||||
| Molecular Weight |
435.919
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGMGZBILRTWEQE-LVFSCSRESA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound